N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide

C11H9BrF3N3O2 — CID 118896455

IUPACN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)C(F)(F)F)c(Br)cc21
InChIInChI=1S/C11H9BrF3N3O2/c1-17-7-3-5(12)6(16-9(19)11(13,14)15)4-8(7)18(2)10(17)20/h3-4H,1-2H3,(H,16,19)
InChIKeyBBRPLUMCIHVBMS-UHFFFAOYSA-N
MW352.11 g/mol
LogP2.14
Rot. Bonds1

About N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide

N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 118896455) has the molecular formula C11H9BrF3N3O2 and a molecular weight of 352.11 g/mol. Its IUPAC name is N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID118896455
Molecular FormulaC11H9BrF3N3O2
Molecular Weight352.11 g/mol
Exact Mass350.98
IUPAC NameN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)C(F)(F)F)c(Br)cc21
InChIInChI=1S/C11H9BrF3N3O2/c1-17-7-3-5(12)6(16-9(19)11(13,14)15)4-8(7)18(2)10(17)20/h3-4H,1-2H3,(H,16,19)
InChIKeyBBRPLUMCIHVBMS-UHFFFAOYSA-N
XLogP2.14
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.11
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide (CID 118896455) is N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide is Cn1c(=O)n(C)c2cc(NC(=O)C(F)(F)F)c(Br)cc21.
What is the InChIKey of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is BBRPLUMCIHVBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3O2/c1-17-7-3-5(12)6(16-9(19)11(13,14)15)4-8(7)18(2)10(17)20/h3-4H,1-2H3,(H,16,19).
What are the key properties of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide?
N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 352.11 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 118896455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).